SCHEMBL8726974

SCHEMBL8726974

NCCCC(=O)OC1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.64
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.45
CYP19A1 P11511 2/20 0.42
CYP1A2 P05177 2/20 0.42
EPHX1 P07099 2/20 0.42
TPSAB1 Q15661 3/20 0.40
TPSD1 Q9BZJ3 3/20 0.40
TPSG1 Q9NRR2 3/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
GABRR3 A8MPY1 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
HDAC3 O15379 1/20 0.37
GABBR2 O75899 1/20 0.37
THRB P10828 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL8726966 0.98 NAAA (0.62) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL8104397 0.93 NAAA (0.70) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL8089135 0.93 NAAA (0.70) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL7898643 0.93 NAAA (0.70) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL7898262 0.93 NAAA (0.70) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL7900220 0.93 NAAA (0.70) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL7898265 0.93 NAAA (0.70) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL7901742 0.93 NAAA (0.70) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL7890480 0.93 NAAA (0.70) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL7898276 0.93 NAAA (0.70) NAAACYP2C19SMN1; SMN2HTTCYP19A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335545-B2 Pharmaceutical formulations for parenteral use UNIV FLORIDA (US) 1998-09-23 EP disclosed
EP-0327766-B1 Redox systems for brain-targeted drug delivery UNIV FLORIDA (US) 1998-04-08 EP disclosed
US-5525727-A ANALGESIC OR NARCOTIC ANTAGONIST UNIVERSITY OF FLORIDA (US) 1996-06-11 US disclosed
US-5187158-A Sustained delivery of viricides UNIVERSITY OF FLORIDA (US) 1993-02-16 US disclosed
US-5024998-A Administering in aqueous solution with cyclodextrin derivative UNIVERSITY OF FLORIDA (US) 1991-06-18 US disclosed
US-5017566-A Redox systems for brain-targeted drug delivery UNIVERSITY OF FLORIDA (US) 1991-05-21 US disclosed
US-5008257-A Penicillin or cephalosporin antibiotics UNIVERSITY OF FLORIDA (US) 1991-04-16 US disclosed
US-5002935-A Inclusion Complexing Hydroxypropylcyclodextrin with a Dihydropyridine-substituted Drug UNIVERSITY OF FLORIDA (US) 1991-03-26 US disclosed
US-4983586-A Decreasing precipitation at injection site or in lungs or other organs by combining with hydroxypropyl-beta-cyclodextrin UNIVERSITY OF FLORIDA (US) 1991-01-08 US disclosed
US-4900837-A Brain-specific drug delivery of steroid sex hormones cleaved from pyridinium carboxylates and dihydro-pyridine carboxylate precursors UNIVERSITY OF FLORIDA (US) 1990-02-13 US disclosed
US-4880921-A Brain-specific drug delivery UNIVERSITY OF FLORIDA (US) 1989-11-14 US disclosed
EP-0335545-A2 Pharmaceutical formulations for parenteral use UNIVERSITY OF FLORIDA (US) 1989-10-04 EP disclosed
EP-0327766-A2 Redox systems for brain-targeted drug delivery UNIVERSITY OF FLORIDA (US) 1989-08-16 EP disclosed
US-4824850-A DIHYDROPYRIDINE-PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1989-04-25 US disclosed
US-4786647-A DIHYDROPYRIDINE DERIVATIVES OF AMINOBUTYRIC ACID UNIVERSITY OF FLORIDA (US) 1988-11-22 US disclosed